935-44-4 Purity
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Specification
The PubChem CID of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is 58902103.
The molecular formula of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is C14H19NO2.
The synonyms for Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- are 935460-20-1 and Cyclopropanamine,1-[3-(1,3-dioxepan-5-yl)phenyl]-.
The molecular weight of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is 233.31 g/mol.
The IUPAC name of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is 1-[3-(1,3-dioxepan-5-yl)phenyl]cyclopropan-1-amine.
The InChI of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is InChI=1S/C14H19NO2/c15-14(5-6-14)13-3-1-2-11(8-13)12-4-7-16-10-17-9-12/h1-3,8,12H,4-7,9-10,15H2.
The InChIKey of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is MOAUDQOGYBFAEA-UHFFFAOYSA-N.
The Canonical SMILES of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is C1COCOCC1C2=CC(=CC=C2)C3(CC3)N.
The XLogP3-AA value of Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is 1.1.
Yes, Cyclopropanamine, 1-[3-(1,3-dioxepan-5-yl)phenyl]- is a canonicalized compound.